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165548-08-3 | 1,3-Propanediamine, N3-(3-methoxy-8-methylbenzo[f]pyrido[4,3-b]quinoxalin-11-yl)-N1,N1-dimethyl-
CAS No: 165548-08-3 Catalog No: AG001W7O MDL No:
Product Description
Catalog Number:
AG001W7O
Chemical Name:
1,3-Propanediamine, N3-(3-methoxy-8-methylbenzo[f]pyrido[4,3-b]quinoxalin-11-yl)-N1,N1-dimethyl-
CAS Number:
165548-08-3
Molecular Formula:
C22H25N5O
Molecular Weight:
375.4668
IUPAC Name:
N-(5-methoxy-13-methyl-11,15,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,11,13,15,17-nonaen-16-yl)-N',N'-dimethylpropane-1,3-diamine
InChI:
InChI=1S/C22H25N5O/c1-14-13-24-22(23-10-5-11-27(2)3)21-19(14)25-18-9-6-15-12-16(28-4)7-8-17(15)20(18)26-21/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,24)
InChI Key:
LRIPRDBVKDMCOH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc1c2nc2c(NCCCN(C)C)ncc(c2n1)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.206g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.476g/mol
Monoisotopic Mass:
375.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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